4-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide

C14H20ClNO2 — CID 63307538

IUPAC4-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)CCCCl
InChIInChI=1S/C14H20ClNO2/c1-3-16(14(17)5-4-10-15)11-12-6-8-13(18-2)9-7-12/h6-9H,3-5,10-11H2,1-2H3
InChIKeyDPQDSSSHKQTPEJ-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.06
Rot. Bonds7

About 4-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide

4-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide (PubChem CID 63307538) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 4-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide
PubChem CID63307538
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name4-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)CCCCl
InChIInChI=1S/C14H20ClNO2/c1-3-16(14(17)5-4-10-15)11-12-6-8-13(18-2)9-7-12/h6-9H,3-5,10-11H2,1-2H3
InChIKeyDPQDSSSHKQTPEJ-UHFFFAOYSA-N
XLogP3.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(methylamino)butanamide
CID 54872486
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide;hydrochloride
CID 120560791
N-benzyl-5-chloro-N-ethylpentanamide
CID 28727812
2-(tert-butylamino)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 112727502
3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 64678742
3-(2-aminophenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 120609423
2-(cyclopropylamino)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 54872668
3-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
CID 54875070
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
2-bromo-N,N-bis[(4-methoxyphenyl)methyl]acetamide
CID 10904936
3-(2,5-dioxoimidazolidin-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 75511632
6-chloro-1-(4-methoxyphenyl)hexan-3-one
CID 66046584

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide?
The IUPAC name of 4-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide (CID 63307538) is 4-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide.
What is the SMILES notation for 4-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide?
The canonical SMILES for 4-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide is CCN(Cc1ccc(OC)cc1)C(=O)CCCCl.
What is the InChIKey of 4-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide?
The InChIKey is DPQDSSSHKQTPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-3-16(14(17)5-4-10-15)11-12-6-8-13(18-2)9-7-12/h6-9H,3-5,10-11H2,1-2H3.
What are the key properties of 4-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide?
4-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide has a molecular weight of 269.77 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide is sourced from PubChem (CID 63307538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).